4194-0024 Screening compound: 1-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(5-bromopyridine-3-carbonyl)thiourea

4194-0024 Screening compound: 1-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(5-bromopyridine-3-carbonyl)thiourea
4194-0024 Screening compound: 1-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(5-bromopyridine-3-carbonyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 4194-0024
1-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(5-bromopyridine-3-carbonyl)thiourea

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

4194-0024

Molecular Formula

C20H13BrN4O2S (C20 H13 BrN4 O2 S)

Compound Name

1-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(5-bromopyridine-3-carbonyl)thiourea

IUPAC name

1-[4-(13-benzoxazol-2-yl)phenyl]-3-(5-bromopyridine-3-carbonyl)thiourea

SMILES

O=C(c1cc(Br)cnc1)NC(Nc(cc1)ccc1-c1nc(cccc2)c2o1)=S

InChI

InChI=1S/C20H13BrN4O2S/c21-14-9-13(10-22-11-14)18(26)25-20(28)23-15-7-5-12(6-8-15)19-24-16-3-1-2-4-17(16)27-19/h1-11H,(H2,23,25,26,28)

InChI Key

QZBSZPLQHBWXLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03016428

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.859

Distribution Coefficient, logD

4.848

Water Solubility, LogSw

-4.83

Polar Surface Area

59.657

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

0.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4194-0024 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4194-0024 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4194-0024?
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What is the minimum amount of 4194-0024 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4194-0024
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4194-0024
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 4194-0024 available by request